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authorThomas White <taw@physics.org>2010-06-21 17:15:33 +0200
committerThomas White <taw@physics.org>2012-02-22 15:26:50 +0100
commit3a2152e5ea7980575d5a66b4c29e2e779d2c30cb (patch)
tree6508ecfd1b78ff60dcceeaf219b3d76416fbab4f /src/cell.c
parentd82e45831a94cae99730ad8f7ff48b4cf8e1cfb9 (diff)
Make UnitCell opaque
Diffstat (limited to 'src/cell.c')
-rw-r--r--src/cell.c21
1 files changed, 21 insertions, 0 deletions
diff --git a/src/cell.c b/src/cell.c
index af56a8be..23c5fd0b 100644
--- a/src/cell.c
+++ b/src/cell.c
@@ -28,6 +28,27 @@
/* Weighting factor of lengths relative to angles */
#define LWEIGHT (10.0e-9)
+struct _unitcell {
+
+ /* Crystallographic representation */
+ double a; /* m */
+ double b; /* m */
+ double c; /* m */
+ double alpha; /* Radians */
+ double beta; /* Radians */
+ double gamma; /* Radians */
+
+ /* Cartesian representation */
+ double ax; double bx; double cx;
+ double ay; double by; double cy;
+ double az; double bz; double cz;
+
+ /* Cartesian representation of reciprocal axes */
+ double axs; double bxs; double cxs;
+ double ays; double bys; double cys;
+ double azs; double bzs; double czs;
+
+};
/* Update the cartesian representation from the crystallographic one */
static void cell_update_cartesian(UnitCell *cell)